Nanoscale · 2021 · 35 citations · 107 references
PharmacyComputer ScienceMedicinal ChemistryDrug DesignDrug DiscoveryMachine LearningChemical Space ExplorationComputational Drug DiscoveryMolecular ModelingMolecular Property PredictionArtificial Neural Network SurrogatesBayesian NetworksBayesian Neural NetworksComputational ScreeningComputer-aided Drug DiscoveryK-nearest NeighborsLinear Discriminant AnalysisMachine Learning-assisted Design
. 15 different antibiotics, and 12 bacteria species. The IFPTML-LDA model classified correctly 100% (80 out of 80) DADNP complexes as biologically active. IFPMTL additive strategy may become a useful tool to assist the design of DADNP systems for antibacterial therapy taking into consideration only information about AD and NP components by separate.
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Instance-Based Learning Algorithms
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